3-[4-[4,5-bis(bromanyl)thiophen-2-yl]carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[4,5-bis(bromanyl)thiophen-2-yl]carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(4,5-dibromothiophene-2-carbonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(4,5-dibromo-2-thiophenyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(4,5-dibromothiophene-2-carbonyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(4,5-dibromothiophene-2-carbonyl)piperazino]propionic acid Formula: C12H14Br2N2O3S MolecularWeight: 426.12416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C(=O)C2=CC(=C(S2)Br)Br

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)C2=CC(=C(S2)Br)Br

InChI

InChI=1S/C12H14Br2N2O3S/c13-8-7-9(20-11(8)14)12(19)16-5-3-15(4-6-16)2-1-10(17)18/h7H,1-6H2,(H,17,18)